General Information of the Compound
| Compound ID |
CP0465458
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| Compound Name |
ethyl 5-cyano-2-methyl-6-[3-(2-phenylethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate
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| Structure |
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| Formula |
C22H24N4O5S
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| Molecular Weight |
456.524
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| Canonical SMILES |
CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)CCc1ccccc1
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| InChI |
InChI=1S/C22H24N4O5S/c1-3-31-22(28)19-11-17(12-23)20(24-15(19)2)26-13-18(14-26)21(27)25-32(29,30)10-9-16-7-5-4-6-8-16/h4-8,11,18H,3,9-10,13-14H2,1-2H3,(H,25,27)
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| InChIKey |
TXYSLOQUANFYQS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound